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Chemical structure of Isopropyl ferulate

GC39124

Isopropyl ferulate

Also known as propan-2-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Isopropyl ferulate, isolated from Rhizoma et Radix Notopterygii (Qianghuo), is used in the reduction of pharmaceuticals, preparation of antifungal agents, cosmetics and as antioxidant agent and so forth

ChemicalCAS59831-94-6MW236.26FormulaC13H16O4
CAS number
59831-94-6
Molecular weight
236.26
Formula
C13H16O4
Solubility
Soluble in DMSO
InChIKey
KBTWMQRNUHIETA-UHFFFAOYSA-N
Catalogue number
GC39124
Brand
GLPBIO
Computed properties PubChem CID 43093 · XLogP 2.6 · TPSA 55.8 Ų · H-bond donors 1
XLogP
2.6
TPSA
55.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17

SMILES CC(C)OC(=O)C=CC1=CC(=C(C=C1)O)OC

Computed descriptors from PubChem (CID 43093), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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